SCHEMBL23901573

SCHEMBL23901573

Cc1cc(-c2cccnc2)nc2c(C(=O)NC(C3CCC3)C(F)(F)F)ncn12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 13/20 0.37
WNT1 P04628 10/20 0.37
CRHR1 P34998 1/20 0.36
CRHR2 Q13324 1/20 0.36
AHR P35869 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HCRTR1 O43613 1/20 0.35
KCNT1 Q5JUK3 1/20 0.35
REN P00797 1/20 0.35
HCRTR2 O43614 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19437868 0.96 AHR (0.37) DYRK1AWNT1CRHR1CRHR2AHR
SCHEMBL23901683 0.88 CD38 (0.35) DYRK1AWNT1CRHR1CRHR2AHR
SCHEMBL19438315 0.85 RIPK1 (0.43) DYRK1ACRHR1CRHR2KDM4EALDH1A1
SCHEMBL19438317 0.85 RIPK1 (0.43) DYRK1ACRHR1CRHR2KDM4EALDH1A1
SCHEMBL19438046 0.84 HCRTR2 (0.35) MAPK1KCNT1HCRTR2
SCHEMBL19438280 0.84 ULK1 (0.40)
SCHEMBL19437916 0.84 ULK1 (0.40)
SCHEMBL19437914 0.84 ULK1 (0.40)
SCHEMBL19437885 0.84 ULK1 (0.44) CRHR1CRHR2KDM4EALDH1A1HPGD
SCHEMBL19437890 0.84 ULK1 (0.44) CRHR1CRHR2KDM4EALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210309661-A1 IMIDAZO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2021-10-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210309661-A1 IMIDAZO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, GBA2 DYRK1A 2854/4885WNT1 4245/4885CRHR1 3609/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.